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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017250

bruguierins B

Formula: C48H86O4  |  Mol. Weight: 727.20 g/mol

IUPAC: [(3S,5R,8R,9R,10S,11R,13R,14R,17S)-11-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate

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Overview

Molecular Formula C48H86O4
Molecular Weight 727.20 g/mol
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(CC4C3(CCC4C(C)(CCC=C(C)C)O)C)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy